methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide

C22H36IP — CID 19026508

IUPACmethyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide
SMILESCCCC1CCC(c2ccc(C3CCC([PH2+]C)CC3)cc2)CC1.[I-]
InChIInChI=1S/C22H35P.HI/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;/h9-12,17-18,21-23H,3-8,13-16H2,1-2H3;1H
InChIKeyWDTNAOZZSPMFJE-UHFFFAOYSA-N
MW458.41 g/mol
LogP3.83
Rot. Bonds5

About methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide

methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide (PubChem CID 19026508) has the molecular formula C22H36IP and a molecular weight of 458.41 g/mol. Its IUPAC name is methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide.

Molecular Properties

Compound Namemethyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide
PubChem CID19026508
Molecular FormulaC22H36IP
Molecular Weight458.41 g/mol
Exact Mass458.16
IUPAC Namemethyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide
SMILESCCCC1CCC(c2ccc(C3CCC([PH2+]C)CC3)cc2)CC1.[I-]
InChIInChI=1S/C22H35P.HI/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;/h9-12,17-18,21-23H,3-8,13-16H2,1-2H3;1H
InChIKeyWDTNAOZZSPMFJE-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
2-[4-(4-propylcyclohexyl)phenyl]-1,3-dithiane
CID 139613379

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide?
The IUPAC name of methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide (CID 19026508) is methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide.
What is the SMILES notation for methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide?
The canonical SMILES for methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide is CCCC1CCC(c2ccc(C3CCC([PH2+]C)CC3)cc2)CC1.[I-].
What is the InChIKey of methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide?
The InChIKey is WDTNAOZZSPMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35P.HI/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21;/h9-12,17-18,21-23H,3-8,13-16H2,1-2H3;1H.
What are the key properties of methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide?
methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide has a molecular weight of 458.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]phosphanium iodide is sourced from PubChem (CID 19026508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).